3-ethoxy-N-(1-methoxypentan-2-yl)-2,2-dimethylcyclobutan-1-amine

C14H29NO2 — CID 64851742

IUPAC3-ethoxy-N-(1-methoxypentan-2-yl)-2,2-dimethylcyclobutan-1-amine
SMILESCCCC(COC)NC1CC(OCC)C1(C)C
InChIInChI=1S/C14H29NO2/c1-6-8-11(10-16-5)15-12-9-13(17-7-2)14(12,3)4/h11-13,15H,6-10H2,1-5H3
InChIKeyRELITOBNIDBDTL-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.59
Rot. Bonds8

About 3-ethoxy-N-(1-methoxypentan-2-yl)-2,2-dimethylcyclobutan-1-amine

3-ethoxy-N-(1-methoxypentan-2-yl)-2,2-dimethylcyclobutan-1-amine (PubChem CID 64851742) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-ethoxy-N-(1-methoxypentan-2-yl)-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(1-methoxypentan-2-yl)-2,2-dimethylcyclobutan-1-amine
PubChem CID64851742
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name3-ethoxy-N-(1-methoxypentan-2-yl)-2,2-dimethylcyclobutan-1-amine
SMILESCCCC(COC)NC1CC(OCC)C1(C)C
InChIInChI=1S/C14H29NO2/c1-6-8-11(10-16-5)15-12-9-13(17-7-2)14(12,3)4/h11-13,15H,6-10H2,1-5H3
InChIKeyRELITOBNIDBDTL-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1-methoxypentan-2-yl)-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-(1-methoxypentan-2-yl)-2,2-dimethylcyclobutan-1-amine (CID 64851742) is 3-ethoxy-N-(1-methoxypentan-2-yl)-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(1-methoxypentan-2-yl)-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-(1-methoxypentan-2-yl)-2,2-dimethylcyclobutan-1-amine is CCCC(COC)NC1CC(OCC)C1(C)C.
What is the InChIKey of 3-ethoxy-N-(1-methoxypentan-2-yl)-2,2-dimethylcyclobutan-1-amine?
The InChIKey is RELITOBNIDBDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-6-8-11(10-16-5)15-12-9-13(17-7-2)14(12,3)4/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 3-ethoxy-N-(1-methoxypentan-2-yl)-2,2-dimethylcyclobutan-1-amine?
3-ethoxy-N-(1-methoxypentan-2-yl)-2,2-dimethylcyclobutan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1-methoxypentan-2-yl)-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 64851742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).